1.0 2010-04-08 22:05:06 UTC 2019-11-26 02:56:40 UTC FDB001787 Carthamoside A1 Carthamoside a1 is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Carthamoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carthamoside a1 can be found in safflower, which makes carthamoside a1 a potential biomarker for the consumption of this food product. (-)-Carthamoside A1 4',6'-Acetonide-8Z-decane-4,6-diyne-1-O-beta-D-glucopyranoside C19H26O6 350.4061 350.172938564 (4aR,6R,7R,8R,8aS)-6-[(8Z)-dec-8-en-4,6-diyn-1-yloxy]-2,2-dimethyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol (4aR,6R,7R,8R,8aS)-6-[(8Z)-dec-8-en-4,6-diyn-1-yloxy]-2,2-dimethyl-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol 919117-94-5 C\C=C/C#CC#CCCCO[C@@H]1O[C@]2([H])COC(C)(C)O[C@@]2([H])[C@H](O)[C@H]1O InChI=1S/C19H26O6/c1-4-5-6-7-8-9-10-11-12-22-18-16(21)15(20)17-14(24-18)13-23-19(2,3)25-17/h4-5,14-18,20-21H,10-13H2,1-3H3/b5-4-/t14-,15-,16-,17-,18-/m1/s1 DWCYZAGYVGTNEU-PYUPSREBSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteropolycyclic compounds 1,2-diols 1,3-dioxanes Alkyl glycosides Hydrocarbon derivatives Ketals Monosaccharides Oxacyclic compounds Oxanes Pyranodioxins Secondary alcohols 1,2-diol Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Hydrocarbon derivative Ketal Meta-dioxane Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pyranodioxin Secondary alcohol logp 2.27 ALOGPS logs -3.87 ALOGPS solubility 4.77e-02 g/l ALOGPS logp 2.21 ChemAxon pka_strongest_acidic 12.28 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (4aR,6R,7R,8R,8aS)-6-[(8Z)-dec-8-en-4,6-diyn-1-yloxy]-2,2-dimethyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diol ChemAxon average_mass 350.4061 ChemAxon mono_mass 350.172938564 ChemAxon smiles C\C=C/C#CC#CCCCO[C@@H]1O[C@]2([H])COC(C)(C)O[C@@]2([H])[C@H](O)[C@H]1O ChemAxon formula C19H26O6 ChemAxon inchi InChI=1S/C19H26O6/c1-4-5-6-7-8-9-10-11-12-22-18-16(21)15(20)17-14(24-18)13-23-19(2,3)25-17/h4-5,14-18,20-21H,10-13H2,1-3H3/b5-4-/t14-,15-,16-,17-,18-/m1/s1 ChemAxon inchikey DWCYZAGYVGTNEU-PYUPSREBSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 94.2 ChemAxon polarizability 39.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105087 Specdb::MsMs 105088 Specdb::MsMs 105089 Specdb::MsMs 171507 Specdb::MsMs 171508 Specdb::MsMs 171509 Specdb::MsMs 3598468 Specdb::MsMs 3598469 Specdb::MsMs 3598470 Specdb::MsMs 3598471 Specdb::MsMs 3598472 Specdb::MsMs 3598473 Safflower Type 1 specific Carthamus tinctorius 4222